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Add example notebooks to documentation #2

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4 of 13 tasks
g-bauer opened this issue Nov 12, 2021 · 1 comment
Open
4 of 13 tasks

Add example notebooks to documentation #2

g-bauer opened this issue Nov 12, 2021 · 1 comment
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documentation Improvements or additions to documentation help wanted Extra attention is needed python Python related feature or issue

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@g-bauer
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g-bauer commented Nov 12, 2021

Feel free to add more. I'd favor more separate notebooks with focused scope - makes it easier for user to find what they look for.

  • For each equation of state: simple setup / parameter handling
  • Working with units
  • Dual numbers
  • Phase equilibria, for pure substances and for binary mixtures
    • different constructor methods
    • phase diagram with plots
  • Critical point calculation for pure substances and mixtures
  • DFT / PDGT
    • Setup, density profile for vle, surface tension
    • Setup pdgt, surface tension
    • external potential, radial distribution function
    • external potential, adsorption, adsorption isotherm
    • external potential, solvation
@g-bauer g-bauer added documentation Improvements or additions to documentation help wanted Extra attention is needed python Python related feature or issue labels Nov 12, 2021
@prehner
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prehner commented Jun 13, 2022

With the number of example notebooks that are already there, we should find a structure that makes the maintenance as simple as possible while making it easy to find the right example for a given problem.

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Labels
documentation Improvements or additions to documentation help wanted Extra attention is needed python Python related feature or issue
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